Vitas-M small molecule compound
2-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Catalog ID
STK623250
SMILES CCOC(=O)[C@@H](NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17?,21-,22?/m0/s1InChIKey
JSDRRTOADPPCHY-LPBNZCGVSA-NSynonyms
2(2(((2S)1ethoxy1oxo4phenylbutan2yl)amino)propanoyl)34dihydro1Hisoquinoline3carboxylicacid
2(N((2S)1ethoxy1oxo4phenylbutan2yl)alanyl)1234tetrahydroisoquinoline3carboxylicacid
CCOC(=O)(C@@H)(NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O
InChI=1SC25H30N2O5c133225(31)21(14131895461018)2617(2)23(28)27162012871119(20)1522(27)24(29)30h41217212226H31316H212H3(H2930)t17?2122?m0s1
MFCD10488945
ZINC000001530749
ZINC000012860077
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